boron group oxides;
non-van der Waals material;
first-principles calculation;
NANOSHEETS;
GROWTH;
PERFORMANCE;
MONOLAYER;
SAPPHIRE;
BEHAVIOR;
TIO2;
FILM;
D O I:
10.3390/cryst13091298
中图分类号:
O7 [晶体学];
学科分类号:
0702 ;
070205 ;
0703 ;
080501 ;
摘要:
Two-dimensional (2D) metal oxides have broad prospective applications in the fields of catalysis, electronic devices, sensors, and detectors. However, non-van der Waals 2D metal oxides have rarely been studied because they are hard to peel off or synthesize. In this work, taking alumina (Al2O3) as a typical representative of 2D boron group oxides, the structural stability and electrical properties of 2D Al2O3 are investigated through first-principles calculations. The thinnest Al2O3 structure is a bilayer, and the band gap of Al2O3 is found to decrease with decreasing layer thickness because of the giant surface reconstruction. The band gap of bilayer X2O3 (X = Al, Ga, and In) decreases with increasing atomic radius. Our findings provide theoretical support for the preparation of non-van der Waals 2D boron group oxide semiconductors.
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Daeneke, Torben
Atkin, Paul
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h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Atkin, Paul
Orrell-Trigg, Rebecca
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h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Orrell-Trigg, Rebecca
Zavabeti, Ali
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Zavabeti, Ali
Ahmed, Taimur
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Ahmed, Taimur
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Walia, Sumeet
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Liu, Maning
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Tachibana, Yasuhiro
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Javaid, Maria
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Greentree, Andrew D.
Russo, Salvy P.
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Sci, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Russo, Salvy P.
Kaner, Richard B.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA
Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USARMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Kaner, Richard B.
Kalantar-Zadeh, Kourosh
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Daeneke, Torben
Atkin, Paul
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Atkin, Paul
Orrell-Trigg, Rebecca
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Orrell-Trigg, Rebecca
Zavabeti, Ali
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Zavabeti, Ali
Ahmed, Taimur
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Ahmed, Taimur
论文数: 引用数:
h-index:
机构:
Walia, Sumeet
论文数: 引用数:
h-index:
机构:
Liu, Maning
论文数: 引用数:
h-index:
机构:
Tachibana, Yasuhiro
论文数: 引用数:
h-index:
机构:
Javaid, Maria
论文数: 引用数:
h-index:
机构:
Greentree, Andrew D.
Russo, Salvy P.
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Sci, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Russo, Salvy P.
Kaner, Richard B.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA
Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USARMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia
Kaner, Richard B.
Kalantar-Zadeh, Kourosh
论文数: 0引用数: 0
h-index: 0
机构:
RMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, AustraliaRMIT Univ, Sch Engn, 124 La Trobe St, Melbourne, Vic 3001, Australia